[4-(hydroxyiminomethyl)phenyl] benzoate

C14H11NO3 — CID 880956

IUPAC[4-(hydroxyiminomethyl)phenyl] benzoate
SMILESO=C(Oc1ccc(C=NO)cc1)c1ccccc1
InChIInChI=1S/C14H11NO3/c16-14(12-4-2-1-3-5-12)18-13-8-6-11(7-9-13)10-15-17/h1-10,17H
InChIKeyOCHGSVJYUVXWDJ-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.71
Rot. Bonds3

About [4-(hydroxyiminomethyl)phenyl] benzoate

[4-(hydroxyiminomethyl)phenyl] benzoate (PubChem CID 880956) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is [4-(hydroxyiminomethyl)phenyl] benzoate.

Molecular Properties

Compound Name[4-(hydroxyiminomethyl)phenyl] benzoate
PubChem CID880956
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Name[4-(hydroxyiminomethyl)phenyl] benzoate
SMILESO=C(Oc1ccc(C=NO)cc1)c1ccccc1
InChIInChI=1S/C14H11NO3/c16-14(12-4-2-1-3-5-12)18-13-8-6-11(7-9-13)10-15-17/h1-10,17H
InChIKeyOCHGSVJYUVXWDJ-UHFFFAOYSA-N
XLogP2.71
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-[(Z)-hydroxyiminomethyl]phenyl] 4-methoxybenzoate
CID 5415416
[4-[(E)-(diaminomethylidenehydrazinylidene)methyl]phenyl] benzoate
CID 45146424
[4-[(E)-hydroxyiminomethyl]phenyl] 4-ethoxybenzoate
CID 177398517
[4-[(E)-hydroxyiminomethyl]phenyl] 2-chlorobenzoate
CID 6897896
[4-(hydroxyiminomethyl)phenyl] 2-chlorobenzoate
CID 880858
[4-(hydroxyiminomethyl)phenyl] 4-nitrobenzoate
CID 23822226
[4-[(Z)-[[3-[(2Z)-2-[(4-benzoyloxyphenyl)methylidene]hydrazinyl]-3-oxopropanoyl]hydrazinylidene]methyl]phenyl] benzoate
CID 6088439
[4-[(4-chlorophenyl)iminomethyl]phenyl] benzoate
CID 691027
[4-[[[6-[2-[(4-benzoyloxyphenyl)methylidene]hydrazinyl]-6-oxohexanoyl]hydrazinylidene]methyl]phenyl] benzoate
CID 4631127
3-[(2E)-2-[(4-benzoyloxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 110505202
[4-[4-(4-benzoyloxyphenoxy)phenoxy]phenyl] benzoate
CID 14669952
bis[4-(2-oxo-2-phenylacetyl)phenyl] benzene-1,4-dicarboxylate
CID 4643274

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxyiminomethyl)phenyl] benzoate?
The IUPAC name of [4-(hydroxyiminomethyl)phenyl] benzoate (CID 880956) is [4-(hydroxyiminomethyl)phenyl] benzoate.
What is the SMILES notation for [4-(hydroxyiminomethyl)phenyl] benzoate?
The canonical SMILES for [4-(hydroxyiminomethyl)phenyl] benzoate is O=C(Oc1ccc(C=NO)cc1)c1ccccc1.
What is the InChIKey of [4-(hydroxyiminomethyl)phenyl] benzoate?
The InChIKey is OCHGSVJYUVXWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c16-14(12-4-2-1-3-5-12)18-13-8-6-11(7-9-13)10-15-17/h1-10,17H.
What are the key properties of [4-(hydroxyiminomethyl)phenyl] benzoate?
[4-(hydroxyiminomethyl)phenyl] benzoate has a molecular weight of 241.25 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxyiminomethyl)phenyl] benzoate is sourced from PubChem (CID 880956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).